199025

Source:http://linkedlifedata.com/resource/chembl/compound/199025

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:199025_NSC-14560_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C7H12N4S8/c1-8-4(12)16-18-6(14)10-3-11-7(15)19-17-5(13)9-2/h3H2,1-2H3,(H,8,12)(H,9,13)(H,10,14)(H,11,15)
chemicalCompound:standardIn...	XDKACNSRUUDVLF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C\N=C(/S)\SS\C(=N\C\N=C(/S)\SS\C(=N\C)\S)\S
chemicalCompound:molecularF...	C7 H12 N4 S8
chemicalCompound:moleculeId	199025
chemicalCompound:mwFreebase	408.717
chemicalCompound:alogp	6.828
chemicalCompound:hba	12
chemicalCompound:hbd	4
chemicalCompound:psa	305.84
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-5.037
chemicalCompound:acdLogP	4.761
chemicalCompound:acdLogD	-0.885
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	408.717
chemicalCompound:acdMostBpk...	7.211
chemicalCompound:chemblId	CHEMBL120373
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299025
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:681356, activity:681357